Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50171665'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50171665 (CHEMBL194953 | {8-[2-(4-Benzo[d]isothiazol-3-yl-pi...) Show SMILES CC1CCN(C(=O)c2ccccc2)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12 Show InChI InChI=1S/C30H32N4OS/c1-22-14-17-34(30(35)24-8-3-2-4-9-24)28-23(10-7-12-25(22)28)15-16-32-18-20-33(21-19-32)29-26-11-5-6-13-27(26)36-31-29/h2-13,22H,14-21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells				Bioorg Med Chem Lett 15: 4560-3 (2005) Article DOI: 10.1016/j.bmcl.2005.06.097 BindingDB Entry DOI: 10.7270/Q27S7NBQ
					More data for this Ligand-Target Pair